bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide

C7H9IO — CID 174565915

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
SMILESCO.I.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H
InChIKeyKEYGQVCTMJRTKR-UHFFFAOYSA-N
MW236.05 g/mol
LogP1.89
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide

bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide (PubChem CID 174565915) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
PubChem CID174565915
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
SMILESCO.I.c1cc2ccc1-2
InChIInChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H
InChIKeyKEYGQVCTMJRTKR-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
CID 174258467
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
CID 123382186
ethane;methanol;1,4-xylene
CID 171074418
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
1,1'-biphenyl;methanol;propane
CID 91033003
bicyclo[2.2.0]hexa-1,3,5-triene;oxalic acid
CID 174547158
bicyclo[2.2.0]hexa-1,3,5-triene;ethanamine
CID 22256298
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
acetylene;bicyclo[2.2.0]hexa-1,3,5-triene;methanesulfonic acid
CID 175226475
ethane;4-(4-methylphenyl)phenol
CID 161379556
bicyclo[2.2.0]hexa-1,3,5-triene;propanal;hydroiodide
CID 174444580

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide (CID 174565915) is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide is CO.I.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
The InChIKey is KEYGQVCTMJRTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.CH4O.HI/c1-2-6-4-3-5(1)6;1-2;/h1-4H;2H,1H3;1H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide?
bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide has a molecular weight of 236.05 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide is sourced from PubChem (CID 174565915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).